CID 71757239

3-(carboxymethyl)pyrrolidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₇H₁₁NO₄

SMILES

C1CNCC1(CC(=O)O)C(=O)O

InChI

InChI=1S/C7H11NO4/c9-5(10)3-7(6(11)12)1-2-8-4-7/h8H,1-4H2,(H,9,10)(H,11,12)

InChIKey

FXNXDPZYBMTULA-UHFFFAOYSA-N

Compound name

3-(carboxymethyl)pyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.0688 Da
Monoisotopic Mass: -3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	174.076076	137.2
[M+Na]+	196.058018	142.7
[M-H]-	172.061524	134.9
[M+NH4]+	191.102623	157.0
[M+K]+	212.031958	141.1
[M+H-H2O]+	156.066060	132.6
[M+HCOO]-	218.067001	153.5
[M+CH3COO]-	232.082651	168.8
[M+Na-2H]-	194.043466	139.5
[M]+	173.06825142	132.4
[M]-	173.06934858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.